UCSF

ZINC04879442

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.79 16.53 -15.14 0 4 0 43 412.924 3
Lo Low (pH 4.5-6) 6.79 16.99 -27.86 1 4 1 44 413.932 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )